(E)-N-hydroxy-3-(4-thiophen-2-ylphenyl)prop-2-enamide

C13H11NO2S — CID 42630932

IUPAC(E)-N-hydroxy-3-(4-thiophen-2-ylphenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(-c2cccs2)cc1)NO
InChIInChI=1S/C13H11NO2S/c15-13(14-16)8-5-10-3-6-11(7-4-10)12-2-1-9-17-12/h1-9,16H,(H,14,15)/b8-5+
InChIKeyOAERDJLAFVBYLK-VMPITWQZSA-N
MW245.30 g/mol
LogP2.93
Rot. Bonds3

About (E)-N-hydroxy-3-(4-thiophen-2-ylphenyl)prop-2-enamide

(E)-N-hydroxy-3-(4-thiophen-2-ylphenyl)prop-2-enamide (PubChem CID 42630932) has the molecular formula C13H11NO2S and a molecular weight of 245.30 g/mol. Its IUPAC name is (E)-N-hydroxy-3-(4-thiophen-2-ylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-(4-thiophen-2-ylphenyl)prop-2-enamide
PubChem CID42630932
Molecular FormulaC13H11NO2S
Molecular Weight245.30 g/mol
Exact Mass245.05
IUPAC Name(E)-N-hydroxy-3-(4-thiophen-2-ylphenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(-c2cccs2)cc1)NO
InChIInChI=1S/C13H11NO2S/c15-13(14-16)8-5-10-3-6-11(7-4-10)12-2-1-9-17-12/h1-9,16H,(H,14,15)/b8-5+
InChIKeyOAERDJLAFVBYLK-VMPITWQZSA-N
XLogP2.93
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (E)-N-hydroxy-3-(4-thiophen-2-ylphenyl)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-3-(4-thiophen-2-ylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-(4-thiophen-2-ylphenyl)prop-2-enamide (CID 42630932) is (E)-N-hydroxy-3-(4-thiophen-2-ylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-(4-thiophen-2-ylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-(4-thiophen-2-ylphenyl)prop-2-enamide is O=C(/C=C/c1ccc(-c2cccs2)cc1)NO.
What is the InChIKey of (E)-N-hydroxy-3-(4-thiophen-2-ylphenyl)prop-2-enamide?
The InChIKey is OAERDJLAFVBYLK-VMPITWQZSA-N. The full InChI is InChI=1S/C13H11NO2S/c15-13(14-16)8-5-10-3-6-11(7-4-10)12-2-1-9-17-12/h1-9,16H,(H,14,15)/b8-5+.
What are the key properties of (E)-N-hydroxy-3-(4-thiophen-2-ylphenyl)prop-2-enamide?
(E)-N-hydroxy-3-(4-thiophen-2-ylphenyl)prop-2-enamide has a molecular weight of 245.30 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-(4-thiophen-2-ylphenyl)prop-2-enamide is sourced from PubChem (CID 42630932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).